methyl 4-[[4-[ethanoyl(methyl)amino]phenyl]-methylsulfonyl-carbamoyl]-2-nitro-benzoate

Systemtic Name: methyl 4-[[4-[ethanoyl(methyl)amino]phenyl]-methylsulfonyl-carbamoyl]-2-nitro-benzoate Openeye Name: methyl 4-[[4-[acetyl(methyl)amino]phenyl]-methylsulfonyl-carbamoyl]-2-nitro-benzoate CAS Name: 4-[[4-[acetyl(methyl)amino]-N-methylsulfonylanilino]-oxomethyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[4-[acetyl(methyl)amino]phenyl]-methylsulfonylcarbamoyl]-2-nitrobenzoate Traditional Name: 4-[[4-[acetyl(methyl)amino]phenyl]-mesyl-carbamoyl]-2-nitro-benzoic acid methyl ester Formula: C19H19N3O8S MolecularWeight: 449.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=CC=C(C=C1)N(C(=O)C2=CC(=C(C=C2)C(=O)OC)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC(=O)N(C)C1=CC=C(C=C1)N(C(=O)C2=CC(=C(C=C2)C(=O)OC)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C19H19N3O8S/c1-12(23)20(2)14-6-8-15(9-7-14)21(31(4,28)29)18(24)13-5-10-16(19(25)30-3)17(11-13)22(26)27/h5-11H,1-4H3